1-[3-cyclopropyl-4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-3-methyl-6-propan-2-ylphenyl]urea;1-[3,4-difluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-yl-3-(trifluoromethoxy)phenyl]-3-methylsulfonylurea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-yl-3-(trifluoromethyl)phenyl]-3-methylsulfonylurea

C96H107F12N17O21S5 — CID 165029951

IUPAC1-[3-cyclopropyl-4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-3-methyl-6-propan-2-ylphenyl]urea;1-[3,4-difluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-yl-3-(trifluoromethoxy)phenyl]-3-methylsulfonylurea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-yl-3-(trifluoromethyl)phenyl]-3-methylsulfonylurea
SMILESCOc1cc(-c2c(C)c(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2ccn(C3CC3)n2)ccn1.COc1cc(-c2c(F)c(F)cc(C(C)C)c2NC(=O)NS(C)(=O)=O)ccn1.COc1cc(-c2c(NC(=O)NS(C)(=O)=O)c(C(C)C)cc(F)c2C(F)(F)F)ccn1.COc1cc(-c2c(NC(=O)NS(C)(=O)=O)c(C(C)C)cc(F)c2C2CC2)ccn1.COc1cc(-c2c(NC(=O)NS(C)(=O)=O)c(C(C)C)cc(F)c2OC(F)(F)F)ccn1
InChIInChI=1S/C23H26FN5O4S.C20H24FN3O4S.C18H19F4N3O5S.C18H19F4N3O4S.C17H19F2N3O4S/c1-13(2)17-12-18(24)14(3)21(15-7-9-25-19(11-15)33-4)22(17)26-23(30)28-34(31,32)20-8-10-29(27-20)16-5-6-16;1-11(2)14-10-15(21)17(12-5-6-12)18(13-7-8-22-16(9-13)28-3)19(14)23-20(25)24-29(4,26)27;1-9(2)11-8-12(19)16(30-18(20,21)22)14(10-5-6-23-13(7-10)29-3)15(11)24-17(26)25-31(4,27)28;1-9(2)11-8-12(19)15(18(20,21)22)14(10-5-6-23-13(7-10)29-3)16(11)24-17(26)25-30(4,27)28;1-9(2)11-8-12(18)15(19)14(10-5-6-20-13(7-10)26-3)16(11)21-17(23)22-27(4,24)25/h7-13,16H,5-6H2,1-4H3,(H2,26,28,30);7-12H,5-6H2,1-4H3,(H2,23,24,25);5-9H,1-4H3,(H2,24,25,26);5-9H,1-4H3,(H2,24,25,26);5-9H,1-4H3,(H2,21,22,23)
InChIKeyMMNQAYLMLCGPSJ-UHFFFAOYSA-N
MW2223.32 g/mol
LogP19.71
Rot. Bonds29

About 1-[3-cyclopropyl-4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-3-methyl-6-propan-2-ylphenyl]urea;1-[3,4-difluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-yl-3-(trifluoromethoxy)phenyl]-3-methylsulfonylurea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-yl-3-(trifluoromethyl)phenyl]-3-methylsulfonylurea

1-[3-cyclopropyl-4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-3-methyl-6-propan-2-ylphenyl]urea;1-[3,4-difluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-yl-3-(trifluoromethoxy)phenyl]-3-methylsulfonylurea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-yl-3-(trifluoromethyl)phenyl]-3-methylsulfonylurea (PubChem CID 165029951) has the molecular formula C96H107F12N17O21S5 and a molecular weight of 2223.32 g/mol. Its IUPAC name is 1-[3-cyclopropyl-4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-3-methyl-6-propan-2-ylphenyl]urea;1-[3,4-difluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-yl-3-(trifluoromethoxy)phenyl]-3-methylsulfonylurea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-yl-3-(trifluoromethyl)phenyl]-3-methylsulfonylurea.

Molecular Properties

Compound Name1-[3-cyclopropyl-4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-3-methyl-6-propan-2-ylphenyl]urea;1-[3,4-difluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-yl-3-(trifluoromethoxy)phenyl]-3-methylsulfonylurea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-yl-3-(trifluoromethyl)phenyl]-3-methylsulfonylurea
PubChem CID165029951
Molecular FormulaC96H107F12N17O21S5
Molecular Weight2223.32 g/mol
Exact Mass2221.62
IUPAC Name1-[3-cyclopropyl-4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-3-methyl-6-propan-2-ylphenyl]urea;1-[3,4-difluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-yl-3-(trifluoromethoxy)phenyl]-3-methylsulfonylurea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-yl-3-(trifluoromethyl)phenyl]-3-methylsulfonylurea
SMILESCOc1cc(-c2c(C)c(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2ccn(C3CC3)n2)ccn1.COc1cc(-c2c(F)c(F)cc(C(C)C)c2NC(=O)NS(C)(=O)=O)ccn1.COc1cc(-c2c(NC(=O)NS(C)(=O)=O)c(C(C)C)cc(F)c2C(F)(F)F)ccn1.COc1cc(-c2c(NC(=O)NS(C)(=O)=O)c(C(C)C)cc(F)c2C2CC2)ccn1.COc1cc(-c2c(NC(=O)NS(C)(=O)=O)c(C(C)C)cc(F)c2OC(F)(F)F)ccn1
InChIInChI=1S/C23H26FN5O4S.C20H24FN3O4S.C18H19F4N3O5S.C18H19F4N3O4S.C17H19F2N3O4S/c1-13(2)17-12-18(24)14(3)21(15-7-9-25-19(11-15)33-4)22(17)26-23(30)28-34(31,32)20-8-10-29(27-20)16-5-6-16;1-11(2)14-10-15(21)17(12-5-6-12)18(13-7-8-22-16(9-13)28-3)19(14)23-20(25)24-29(4,26)27;1-9(2)11-8-12(19)16(30-18(20,21)22)14(10-5-6-23-13(7-10)29-3)15(11)24-17(26)25-31(4,27)28;1-9(2)11-8-12(19)15(18(20,21)22)14(10-5-6-23-13(7-10)29-3)16(11)24-17(26)25-30(4,27)28;1-9(2)11-8-12(18)15(19)14(10-5-6-20-13(7-10)26-3)16(11)21-17(23)22-27(4,24)25/h7-13,16H,5-6H2,1-4H3,(H2,26,28,30);7-12H,5-6H2,1-4H3,(H2,23,24,25);5-9H,1-4H3,(H2,24,25,26);5-9H,1-4H3,(H2,24,25,26);5-9H,1-4H3,(H2,21,22,23)
InChIKeyMMNQAYLMLCGPSJ-UHFFFAOYSA-N
XLogP19.71
TPSA514.00 Ų
H-Bond Donors10
H-Bond Acceptors28
Rotatable Bonds29
Heavy Atoms151
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002223.32
LogP ≤ 519.71
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1028

Analyze 1-[3-cyclopropyl-4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-3-methyl-6-propan-2-ylphenyl]urea;1-[3,4-difluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-yl-3-(trifluoromethoxy)phenyl]-3-methylsulfonylurea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-yl-3-(trifluoromethyl)phenyl]-3-methylsulfonylurea with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[3-cyclopropyl-4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-3-methyl-6-propan-2-ylphenyl]urea;1-[3,4-difluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-yl-3-(trifluoromethoxy)phenyl]-3-methylsulfonylurea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-yl-3-(trifluoromethyl)phenyl]-3-methylsulfonylurea?
The IUPAC name of 1-[3-cyclopropyl-4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-3-methyl-6-propan-2-ylphenyl]urea;1-[3,4-difluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-yl-3-(trifluoromethoxy)phenyl]-3-methylsulfonylurea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-yl-3-(trifluoromethyl)phenyl]-3-methylsulfonylurea (CID 165029951) is 1-[3-cyclopropyl-4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-3-methyl-6-propan-2-ylphenyl]urea;1-[3,4-difluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-yl-3-(trifluoromethoxy)phenyl]-3-methylsulfonylurea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-yl-3-(trifluoromethyl)phenyl]-3-methylsulfonylurea.
What is the SMILES notation for 1-[3-cyclopropyl-4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-3-methyl-6-propan-2-ylphenyl]urea;1-[3,4-difluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-yl-3-(trifluoromethoxy)phenyl]-3-methylsulfonylurea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-yl-3-(trifluoromethyl)phenyl]-3-methylsulfonylurea?
The canonical SMILES for 1-[3-cyclopropyl-4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-3-methyl-6-propan-2-ylphenyl]urea;1-[3,4-difluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-yl-3-(trifluoromethoxy)phenyl]-3-methylsulfonylurea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-yl-3-(trifluoromethyl)phenyl]-3-methylsulfonylurea is COc1cc(-c2c(C)c(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2ccn(C3CC3)n2)ccn1.COc1cc(-c2c(F)c(F)cc(C(C)C)c2NC(=O)NS(C)(=O)=O)ccn1.COc1cc(-c2c(NC(=O)NS(C)(=O)=O)c(C(C)C)cc(F)c2C(F)(F)F)ccn1.COc1cc(-c2c(NC(=O)NS(C)(=O)=O)c(C(C)C)cc(F)c2C2CC2)ccn1.COc1cc(-c2c(NC(=O)NS(C)(=O)=O)c(C(C)C)cc(F)c2OC(F)(F)F)ccn1.
What is the InChIKey of 1-[3-cyclopropyl-4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-3-methyl-6-propan-2-ylphenyl]urea;1-[3,4-difluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-yl-3-(trifluoromethoxy)phenyl]-3-methylsulfonylurea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-yl-3-(trifluoromethyl)phenyl]-3-methylsulfonylurea?
The InChIKey is MMNQAYLMLCGPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O4S.C20H24FN3O4S.C18H19F4N3O5S.C18H19F4N3O4S.C17H19F2N3O4S/c1-13(2)17-12-18(24)14(3)21(15-7-9-25-19(11-15)33-4)22(17)26-23(30)28-34(31,32)20-8-10-29(27-20)16-5-6-16;1-11(2)14-10-15(21)17(12-5-6-12)18(13-7-8-22-16(9-13)28-3)19(14)23-20(25)24-29(4,26)27;1-9(2)11-8-12(19)16(30-18(20,21)22)14(10-5-6-23-13(7-10)29-3)15(11)24-17(26)25-31(4,27)28;1-9(2)11-8-12(19)15(18(20,21)22)14(10-5-6-23-13(7-10)29-3)16(11)24-17(26)25-30(4,27)28;1-9(2)11-8-12(18)15(19)14(10-5-6-20-13(7-10)26-3)16(11)21-17(23)22-27(4,24)25/h7-13,16H,5-6H2,1-4H3,(H2,26,28,30);7-12H,5-6H2,1-4H3,(H2,23,24,25);5-9H,1-4H3,(H2,24,25,26);5-9H,1-4H3,(H2,24,25,26);5-9H,1-4H3,(H2,21,22,23).
What are the key properties of 1-[3-cyclopropyl-4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-3-methyl-6-propan-2-ylphenyl]urea;1-[3,4-difluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-yl-3-(trifluoromethoxy)phenyl]-3-methylsulfonylurea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-yl-3-(trifluoromethyl)phenyl]-3-methylsulfonylurea?
1-[3-cyclopropyl-4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-3-methyl-6-propan-2-ylphenyl]urea;1-[3,4-difluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-yl-3-(trifluoromethoxy)phenyl]-3-methylsulfonylurea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-yl-3-(trifluoromethyl)phenyl]-3-methylsulfonylurea has a molecular weight of 2223.32 g/mol, XLogP of 19.71, 29 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-cyclopropyl-4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-3-methyl-6-propan-2-ylphenyl]urea;1-[3,4-difluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-yl-3-(trifluoromethoxy)phenyl]-3-methylsulfonylurea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-yl-3-(trifluoromethyl)phenyl]-3-methylsulfonylurea is sourced from PubChem (CID 165029951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).